CID 459115

1,3-benzothiazol-2-yl(diphenyl)methanol

Structural Information

Molecular Formula
C20H15NOS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC4=CC=CC=C4S3)O
InChI
InChI=1S/C20H15NOS/c22-20(15-9-3-1-4-10-15,16-11-5-2-6-12-16)19-21-17-13-7-8-14-18(17)23-19/h1-14,22H
InChIKey
KMYAWMABXSLIPO-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-yl(diphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.08743 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09471 173.4
[M+Na]+ 340.07665 182.9
[M-H]- 316.08015 182.2
[M+NH4]+ 335.12125 188.9
[M+K]+ 356.05059 175.8
[M+H-H2O]+ 300.08469 165.8
[M+HCOO]- 362.08563 190.4
[M+CH3COO]- 376.10128 185.0
[M+Na-2H]- 338.06210 178.9
[M]+ 317.08688 175.5
[M]- 317.08798 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe